./iterations/neb0_image07_iter5.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
#MD System 2.0
@Title neb0_image07
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.369441114073 0.575478698065 0.411698933844} C1 1 1
14 {} {0.346187950123 0.548743293808 0.522356901112} Si1 2 1
14 {} {0.431280708576 0.585690261912 0.407290214768} Si2 3 1
8 {} {0.359326133309 0.605524902594 0.598401125575} O1 4 1
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8 {} {0.443985350559 0.62143384273 0.506256599868} O3 8 1
8 {} {0.44399127818 0.638006511015 0.324076991862} O4 9 1
14 {} {0.240792866382 0.551496283583 0.556659110613} Si3 10 1
7 {} {0.221080735233 0.473410558077 0.590830171499} N1 11 1
14 {} {0.198625567872 0.465128149375 0.698257732132} Si4 12 1
14 {} {0.221649314726 0.405737705656 0.515764798681} Si5 13 1
7 {} {0.215580268154 0.427125195575 0.405431070503} N2 14 1
7 {} {0.148193399573 0.504169280184 0.718355056898} N3 15 1
1 {} {0.359463558978 0.539681535553 0.359399091969} H1 16 1
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1 {} {0.452616601546 0.48157499988 0.329543193969} H8 23 1
1 {} {0.456002756642 0.470221921096 0.447220925401} H9 24 1
1 {} {0.474757886385 0.63570316694 0.512447564889} H10 25 1
1 {} {0.475804150837 0.640138867957 0.312448122945} H11 26 1
1 {} {0.239046262469 0.595726918766 0.636926383597} H12 27 1
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1 {} {0.264949842332 0.369220371855 0.521592885279} H16 31 1
1 {} {0.184064838818 0.361039032319 0.542346315184} H17 32 1
1 {} {0.242578651459 0.441573261633 0.369257379135} H18 33 1
1 {} {0.187543930928 0.45031336741 0.383121815691} H19 34 1
1 {} {0.147421951609 0.553762290088 0.733439179288} H20 35 1
1 {} {0.120151805546 0.490427123965 0.684854047729} H21 36 1
6 {} {0.621382733224 0.617261655928 0.351281535749} C4 37 1
14 {} {0.578766884462 0.554676344865 0.388734022501} Si6 38 1
14 {} {0.61578780888 0.705750483978 0.387793903073} Si7 39 1
8 {} {0.529223717427 0.592047825929 0.383216850069} O5 40 1
8 {} {0.579052591806 0.490379537695 0.321632447309} O6 41 1
6 {} {0.589296970838 0.52279750194 0.503594950612} C5 42 1
6 {} {0.633856692794 0.722792716057 0.504988837346} C6 43 1
8 {} {0.560804627657 0.720564299401 0.376253299276} O7 44 1
8 {} {0.643555641586 0.755030366735 0.317993046493} O8 45 1
14 {} {0.572584983133 0.429781886192 0.248629003882} Si8 46 1
7 {} {0.585160425871 0.351821078415 0.2916850729} N4 47 1
14 {} {0.541482247718 0.295436117326 0.31509363463} Si9 48 1
14 {} {0.639664798789 0.326424664015 0.316938011996} Si10 49 1
7 {} {0.680791821297 0.372569440962 0.265806024691} N5 50 1
7 {} {0.51752032132 0.252292911629 0.228309388702} N6 51 1
1 {} {0.654762543839 0.598924549246 0.370073206434} H22 52 1
1 {} {0.620620469662 0.618045602027 0.277642478977} H23 53 1
1 {} {0.530732651655 0.640144618037 0.378494394534} H24 54 1
1 {} {0.621429794655 0.496235075014 0.506264775939} H25 55 1
1 {} {0.563219836457 0.487251576285 0.523923014979} H26 56 1
1 {} {0.590238035454 0.563307129813 0.553217432375} H27 57 1
1 {} {0.628606014309 0.775570577688 0.523184520382} H28 58 1
1 {} {0.669453921875 0.711396897891 0.51437862654} H29 59 1
1 {} {0.614890347445 0.692240639257 0.552774666018} H30 60 1
1 {} {0.550425142872 0.766462991704 0.373388306641} H31 61 1
1 {} {0.661395254838 0.790809361085 0.343063838844} H32 62 1
1 {} {0.524997496008 0.427972667887 0.219964748557} H33 63 1
1 {} {0.601852148464 0.445954445957 0.171203246108} H34 64 1
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1 {} {0.648981927076 0.332505137907 0.41443310355} H37 67 1
1 {} {0.643475875175 0.255016323976 0.288853177094} H38 68 1
1 {} {0.693971177037 0.413433542763 0.296118008509} H39 69 1
1 {} {0.683726802056 0.375606228144 0.19844500624} H40 70 1
1 {} {0.495446152046 0.275683962705 0.187315029721} H41 71 1
1 {} {0.535033243295 0.216944658811 0.194383889931} H42 72 1
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